UCSF

ZINC55029234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 7.1 -41.74 4 6 1 75 367.558 7
Mid Mid (pH 6-8) 3.25 5.04 -11.03 3 6 0 73 366.55 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )